chempirical

6-Phenyl-2-thiouracil

C10H8N2OSCAS 36822-11-4204.25 g/mol

Open in Covalent MOL file
OHNHSN
PhenolThiol

Properties

Molecular formula
C10H8N2OS
Molar mass
204.25 g/mol
Exact mass
204.0357 Da
Melting point
263–264.5 °C
logP
2.14Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
36822-11-4
SMILES
Oc1cc(-c2ccccc2)nc(S)n1
InChIKey
XEKNACRTWJHOCE-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 4(1H)-Pyrimidinone, 2,3-dihydro-6-phenyl-2-thioxo-
  • Uracil, 6-phenyl-2-thio-
  • 2,3-Dihydro-6-phenyl-2-thioxo-4(1H)-pyrimidinone
  • 6-Phenylthiouracil
  • 2-Mercapto-6-phenylpyrimidin-4-ol
  • Fenucil
  • NSC 163991
  • NSC 42600
  • 2-Mercapto-6-phenyl-1H-pyrimidin-4-one

Work with 6-Phenyl-2-thiouracil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Amino-2-thiouracil1004-40-647 % similar Methylthiouracil56-04-247 % similar 6-Phenyl-3(2H)-pyridazinone2166-31-644 % similar 2,3-Dihydro-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone368-54-743 % similar 3-Mercapto-5-phenyl-1,2,4-triazole3414-94-643 % similar 2-Thiouracil141-90-241 % similar 2-Bromo-4,6-diphenylpyrimidine56181-49-841 % similar Propylthiouracil51-52-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook